Molecule

ID:111401

General Information

Structure

MolImage

Molecular Formula

C₁₀H₂₃N

Molecular Mass

157.29632

Exact Mass

157.18304974

Charge

0

InChI

InChI=1S/C10H23N/c1-5-7-9(3)11-10(4)8-6-2/h9-11H,5-8H2,1-4H3

InChIKey

ZZJKGVPMLGIOTF-UHFFFAOYSA-N

Canonic Smiles

CCCC(NC(CCC)C)C

Isomeric Smiles

CCCC(C)NC(C)CCC

Calculated Properties

JChem

H Acceptors

1

H Donor

1

LogD (pH = 5.5)

0.048884336

LogD (pH = 7.4)

0.22797568

Log P

3.2880697

Molar Refractivity

51.2782

Polarizability

20.73024

Polar Surface Area

12.03

Rotatable Bonds

6

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Registration numbers

Properties

Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

References

Bioactivity